SCHEMBL29007166

SCHEMBL29007166

O=C(Oc1ccc2c(ccn2Cc2c[nH]c3ccccc23)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
LMNA P02545 4/20 0.44
HTT P42858 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR4A2 P43354 1/20 0.44
FAAH O00519 2/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29007170 0.82 GPR84 (0.57) CDK4CCND1MEN1KMT2AKDM4E
SCHEMBL29617407 0.80 CDK4 (0.43) CDK4CCND1MEN1KMT2ALMNA
SCHEMBL29617416 0.80 TRPM8 (0.50) CDK4CCND1MEN1KMT2ALMNA
SCHEMBL29007184 0.78 CDK4 (0.57) CDK4CCND1MEN1KMT2ALMNA
SCHEMBL29007180 0.76 CDK4 (0.62) CDK4CCND1MEN1KMT2ALMNA
SCHEMBL5429887 0.75 CDK4 (0.54) CDK4CCND1MEN1KMT2ALMNA
SCHEMBL5423911 0.73 GPR84 (0.59) CDK4CCND1KDM4EMAPTCYP1A2
SCHEMBL30888861 0.69 CYP1A2 (0.72) MEN1KMT2AKDM4EMAPTCYP1A2
SCHEMBL27195479 0.69 CYP1A2 (0.72) MEN1KMT2AKDM4EMAPTCYP1A2
SCHEMBL29107192 0.68 KMT2A (0.45) MEN1KMT2AMAPTTDP1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114634438-B Preparation method of bisindolyl methane and derivative thereof 兰州大学 2023-05-26 CN disclosed